A minimalistic diode

TL;DR

This paper introduces a minimalistic model for current asymmetries in molecules, demonstrating that a strongly polarizable molecule can exhibit significant asymmetry in I/V characteristics through time-dependent DMRG calculations.

Contribution

The paper proposes a simple yet effective model capturing current asymmetries in molecules without relying on complex assumptions or environmental details.

Findings

Model shows strong current asymmetry in I/V curves

Time-dependent DMRG confirms asymmetry in polarizable molecules

Clarifies importance of minimal assumptions in modeling molecular diodes

Abstract

In this paper we present a minimalistic model sufficient for current asymmetries in molecules. In particular, we search for an interaction on the molecule which causes current asymmetries independent of additional assumptions or the precise form of its environment. To this end we first discuss earlier proposals and clarify the importance of additional assumptions. We then present a minimal model of a strongly polarizable molecule which shows a strongly asymmetric I/V calculated within time dependent DMRG.